tert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate

C10H18BrNO2 — CID 88586315

IUPACtert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate
SMILESC=C(Br)CN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C10H18BrNO2/c1-6-12(7-8(2)11)9(13)14-10(3,4)5/h2,6-7H2,1,3-5H3
InChIKeyLTZGSGUBDDIRCD-UHFFFAOYSA-N
MW264.16 g/mol
LogP3.15
Rot. Bonds3

About tert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate

tert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate (PubChem CID 88586315) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is tert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate
PubChem CID88586315
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Nametert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate
SMILESC=C(Br)CN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C10H18BrNO2/c1-6-12(7-8(2)11)9(13)14-10(3,4)5/h2,6-7H2,1,3-5H3
InChIKeyLTZGSGUBDDIRCD-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
tert-butyl N-[2-(dimethylamino)acetyl]-N-ethylcarbamate
CID 173318697
acetaldehyde;acetylene;tert-butyl N,N-diethylcarbamate
CID 143752017
tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
CID 176669886
tert-butyl N-(2-cyclopentyl-2-oxoethyl)-N-ethylcarbamate
CID 165468490
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866
tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate
CID 102998322
tert-butyl N-ethyl-N-(3-oxopentyl)carbamate
CID 122518879
tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
CID 123629374
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene
CID 143879621

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate?
The IUPAC name of tert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate (CID 88586315) is tert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate is C=C(Br)CN(CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate?
The InChIKey is LTZGSGUBDDIRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-6-12(7-8(2)11)9(13)14-10(3,4)5/h2,6-7H2,1,3-5H3.
What are the key properties of tert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate?
tert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate has a molecular weight of 264.16 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate is sourced from PubChem (CID 88586315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).